13-carbazol-9-yl-4-methyl-5,10-dithia-1,8,15-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),3,7(11),8,12,14-hexaene

C23H14N4S2 — CID 59359085

IUPAC13-carbazol-9-yl-4-methyl-5,10-dithia-1,8,15-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),3,7(11),8,12,14-hexaene
SMILESCc1cc2c(s1)c1ncsc1c1c(-n3c4ccccc4c4ccccc43)cnn21
InChIInChI=1S/C23H14N4S2/c1-13-10-18-22(29-13)20-23(28-12-24-20)21-19(11-25-27(18)21)26-16-8-4-2-6-14(16)15-7-3-5-9-17(15)26/h2-12H,1H3
InChIKeyUIARONCTRVAYQL-UHFFFAOYSA-N
MW410.53 g/mol
LogP6.56
Rot. Bonds1

About 13-carbazol-9-yl-4-methyl-5,10-dithia-1,8,15-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),3,7(11),8,12,14-hexaene

13-carbazol-9-yl-4-methyl-5,10-dithia-1,8,15-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),3,7(11),8,12,14-hexaene (PubChem CID 59359085) has the molecular formula C23H14N4S2 and a molecular weight of 410.53 g/mol. Its IUPAC name is 13-carbazol-9-yl-4-methyl-5,10-dithia-1,8,15-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),3,7(11),8,12,14-hexaene.

Molecular Properties

Compound Name13-carbazol-9-yl-4-methyl-5,10-dithia-1,8,15-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),3,7(11),8,12,14-hexaene
PubChem CID59359085
Molecular FormulaC23H14N4S2
Molecular Weight410.53 g/mol
Exact Mass410.07
IUPAC Name13-carbazol-9-yl-4-methyl-5,10-dithia-1,8,15-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),3,7(11),8,12,14-hexaene
SMILESCc1cc2c(s1)c1ncsc1c1c(-n3c4ccccc4c4ccccc43)cnn21
InChIInChI=1S/C23H14N4S2/c1-13-10-18-22(29-13)20-23(28-12-24-20)21-19(11-25-27(18)21)26-16-8-4-2-6-14(16)15-7-3-5-9-17(15)26/h2-12H,1H3
InChIKeyUIARONCTRVAYQL-UHFFFAOYSA-N
XLogP6.56
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.53
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 13-carbazol-9-yl-4-methyl-5,10-dithia-1,8,15-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),3,7(11),8,12,14-hexaene with MolForge

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Related Compounds

14-carbazol-9-yl-9-methyl-8-thia-2,3-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),9,13,15-heptaene
CID 59358801
9,14-dimethyl-3,10,13-trithia-5-azatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,11,14-hexaene;ethane
CID 144537701
9-dibenzothiophen-4-yl-3-methylcarbazole
CID 90224671
3-methyl-9-[2-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 58771355
15-carbazol-9-yl-4-methyl-3,8-dithia-1,13-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),4,7(11),9,12,14-hexaene
CID 59359438
14-dibenzothiophen-4-yl-10-thia-5,7,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene
CID 138639543
6,7,8-tri(carbazol-9-yl)-[1]benzothiolo[2,3-b]pyrazine
CID 134351439
6-carbazol-9-yl-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 70992961
7-(12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-22-yl)-1,3-benzothiazole
CID 122465272
3-(3-methylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine
CID 165160549
6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[3,2-b]pyridine
CID 118334713
12-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-2,1,3-benzothiadiazol-7-yl]-[1]benzothiolo[2,3-a]carbazole
CID 135178433

Frequently Asked Questions

What is the IUPAC name of 13-carbazol-9-yl-4-methyl-5,10-dithia-1,8,15-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),3,7(11),8,12,14-hexaene?
The IUPAC name of 13-carbazol-9-yl-4-methyl-5,10-dithia-1,8,15-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),3,7(11),8,12,14-hexaene (CID 59359085) is 13-carbazol-9-yl-4-methyl-5,10-dithia-1,8,15-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),3,7(11),8,12,14-hexaene.
What is the SMILES notation for 13-carbazol-9-yl-4-methyl-5,10-dithia-1,8,15-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),3,7(11),8,12,14-hexaene?
The canonical SMILES for 13-carbazol-9-yl-4-methyl-5,10-dithia-1,8,15-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),3,7(11),8,12,14-hexaene is Cc1cc2c(s1)c1ncsc1c1c(-n3c4ccccc4c4ccccc43)cnn21.
What is the InChIKey of 13-carbazol-9-yl-4-methyl-5,10-dithia-1,8,15-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),3,7(11),8,12,14-hexaene?
The InChIKey is UIARONCTRVAYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N4S2/c1-13-10-18-22(29-13)20-23(28-12-24-20)21-19(11-25-27(18)21)26-16-8-4-2-6-14(16)15-7-3-5-9-17(15)26/h2-12H,1H3.
What are the key properties of 13-carbazol-9-yl-4-methyl-5,10-dithia-1,8,15-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),3,7(11),8,12,14-hexaene?
13-carbazol-9-yl-4-methyl-5,10-dithia-1,8,15-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),3,7(11),8,12,14-hexaene has a molecular weight of 410.53 g/mol, XLogP of 6.56, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 13-carbazol-9-yl-4-methyl-5,10-dithia-1,8,15-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),3,7(11),8,12,14-hexaene is sourced from PubChem (CID 59359085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).